4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole

C15H8ClN3S3 — CID 2809430

IUPAC4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole
SMILESClc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)s1
InChIInChI=1S/C15H8ClN3S3/c16-14-6-5-13(22-14)12-7-20-15(17-12)10-3-1-9(2-4-10)11-8-21-19-18-11/h1-8H
InChIKeyUQYHBGUMTUHNIG-UHFFFAOYSA-N
MW361.90 g/mol
LogP5.71
Rot. Bonds3

About 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole

4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole (PubChem CID 2809430) has the molecular formula C15H8ClN3S3 and a molecular weight of 361.90 g/mol. Its IUPAC name is 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole
PubChem CID2809430
Molecular FormulaC15H8ClN3S3
Molecular Weight361.90 g/mol
Exact Mass360.96
IUPAC Name4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole
SMILESClc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)s1
InChIInChI=1S/C15H8ClN3S3/c16-14-6-5-13(22-14)12-7-20-15(17-12)10-3-1-9(2-4-10)11-8-21-19-18-11/h1-8H
InChIKeyUQYHBGUMTUHNIG-UHFFFAOYSA-N
XLogP5.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.90
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 2815209
CID 2815209
CID 329187
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CID 2739454
CID 2739454
CID 633635
CID 633635
CID 2742422
CID 2742422
CID 15988523
CID 15988523
CID 15988525
CID 15988525
CID 46855330
CID 46855330
CID 155528014
CID 155528014
CID 162653362
CID 162653362
CID 2740511
CID 2740511
CID 5713573
CID 5713573

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
The IUPAC name of 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole (CID 2809430) is 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole.
What is the SMILES notation for 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
The canonical SMILES for 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole is Clc1ccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)s1.
What is the InChIKey of 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
The InChIKey is UQYHBGUMTUHNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3S3/c16-14-6-5-13(22-14)12-7-20-15(17-12)10-3-1-9(2-4-10)11-8-21-19-18-11/h1-8H.
What are the key properties of 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole has a molecular weight of 361.90 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]phenyl]thiadiazole is sourced from PubChem (CID 2809430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).